癸二酸二异丁酯
TL;DR: 癸二酸二异丁酯 (CAS 21322-73-6) is a chemical compound with molecular formula C18H34O4 and molecular weight 314.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
癸二酸二异丁酯
bis(2-methylpropyl) decanedioate
Also Known As: diisobutyl sebacate, Disobuty, Sebacate, bis(2-methylpropyl) decanedioate, Sebacic acid, diisobutyl ester
| Molecular Formula | C18H34O4 |
|---|---|
| Molecular Weight | 314.25 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 314.2457 |
| Heavy Atoms | 22 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 21322-73-6 |
|---|---|
| SMILES | CC(C)COC(=O)CCCCCCCCC(=O)OCC(C)C |
| InChIKey | HMOFGLGHQFZQDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
癸二酸二异丁酯 (CAS 21322-73-6), with molecular formula C18H34O4 and molecular weight 314.25 g/mol. IUPAC: bis(2-methylpropyl) decanedioate.
Chemical Property Profile of 癸二酸二异丁酯
Property Insights of 癸二酸二异丁酯
The XLogP value of 5.4 indicates that 癸二酸二异丁酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 癸二酸二异丁酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 癸二酸二异丁酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 癸二酸二异丁酯?
The CAS number of 癸二酸二异丁酯 is 21322-73-6.
What is the molecular formula of 癸二酸二异丁酯?
The molecular formula of 癸二酸二异丁酯 is C18H34O4.
What is the molecular weight of 癸二酸二异丁酯?
The molecular weight of 癸二酸二异丁酯 is 314.25 g/mol.
Where can I buy 癸二酸二异丁酯?
You can request a quote for 癸二酸二异丁酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 癸二酸二异丁酯?
Yes, KEHONG BIO provides custom synthesis services for 癸二酸二异丁酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.